homecomplexesD-MPNN

D-MPNN Donor Prediction

Single-ligand (939) — 939 complexes
rdmetallics.net (363)Sequential multi-lig (7058)Single-ligand (939)⇄ Compare
64
Exact (1.0)
451
Partial (>0)
424
No match
0.260
Mean score
Reset
#499 1b Ru(2) — 30 candidates
GT: {"O": 3} Pred: {"O": 2, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#501 1d Ru(2) — 30 candidates
GT: {"O": 3, "N": 1} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#526 5a Ru(2) — 30 candidates
GT: {"O": 3, "N": 1} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#527 6a Ru(2) — 30 candidates
GT: {"O": 3, "N": 1} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#530 2b Ru(2) — 30 candidates
GT: {"S": 2} Pred: {"S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#532 2d Ru(2) — 15 candidates
GT: {"N": 2, "S": 2} Pred: {"S": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#533 2e Ru(2) — 30 candidates
GT: {"N": 2, "S": 2} Pred: {"S": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#534 1,30,Ru1 Ru(2) — 28 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#535 2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#536 3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#537 4 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#554 Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#558 1 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#559 2 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#560 3 Ru(2) — 30 candidates
GT: {"N": 6} Pred: {"N": 3}
0.50
Candidates → Complex detail MOL 3D Viewer
#565 N4 Ru(2) — 30 candidates
GT: {"O": 1, "S": 1} Pred: {"O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#567 S1 Ru(2) — 18 candidates
GT: {"O": 1, "S": 2, "N": 1} Pred: {"O": 1, "S": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#576 Ru1,Ru3 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#578 Ru5 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#590 2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#599 2c,3c Ru(2) — 4 candidates
GT: S:1,O:1 Pred: S:1,N:1
0.50
Candidates → Complex detail MOL 3D Viewer
#609 1 Ru(2) — 21 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#628 Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#630 Ru3 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#631 Ru4 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#635 Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#703 Ru-DPPE-Cl,[RuCl2(dppe)2],cis-[RuCl2(dppe)2],cis-[RuCl₂(dppe)₂] Ru(2) — 30 candidates
GT: {"P": 2} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#713 RuBDg Ru(3) — 17 candidates
GT: {"O": 2} Pred: {"O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#714 RuCDg Ru(3) — 12 candidates
GT: {"O": 2} Pred: {"O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#718 [Ru(N-P)2(NCS)2] Ru(2) — 30 candidates
GT: {"N": 2, "S": 2, "P": 2} Pred: {"N": 2, "P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#725 6 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#726 7 Ru(2) — 30 candidates
GT: {"O": 1, "P": 1} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#758 complex 4,Ru4 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#760 FOR0E2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#776 Ru2 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#777 Ru3 Ru(2) — 30 candidates
GT: {"N": 2} Pred: {"N": 4}
0.50
Candidates → Complex detail MOL 3D Viewer
#787 3,Ru3 Ru(2) — 30 candidates
GT: {"S": 1, "N": 1, "P": 2} Pred: {"P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#799 5 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#801 7 Ru(2) — 30 candidates
GT: {"N": 2, "O": 4} Pred: {"N": 2, "O": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#803 Hmxbato Ru(2) — 30 candidates
GT: {"O": 2, "P": 2} Pred: {"P": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#804 6a Ru(2) — 30 candidates
GT: {"S": 2, "O": 1, "N": 1} Pred: {"S": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#805 6b Ru(2) — 30 candidates
GT: {"S": 2, "O": 1, "N": 1} Pred: {"S": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#829 Complex 1 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#831 Complex 3 Ru(2) — 25 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#832 Complex 4 Ru(2) — 30 candidates
GT: {"O": 4} Pred: {"O": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#848 3 Ru(2) — 30 candidates
GT: {"P": 1} Pred: {"P": 1, "N": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#852 Ru1 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#853 Ru2 Ru(2) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
#862 6 Ru(2) — 23 candidates
GT: {"N": 1, "P": 1} Pred: {"P": 1}
0.50
Candidates → Complex detail MOL 3D Viewer
#2302 2 Ru(0) — 30 candidates
GT: {"N": 1} Pred: {"N": 2}
0.50
Candidates → Complex detail MOL 3D Viewer
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